4-[(E)-[3-(3-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoic acid

Systemtic Name: 4-[(E)-[3-(3-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoic acid Openeye Name: 4-[(E)-[3-(3-fluorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]benzoic acid CAS Name: 4-[(E)-[3-(3-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoic acid IUPAC Name: 4-[(E)-[3-(3-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoic acid Traditional Name: 4-[(E)-[3-(3-fluorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]benzoic acid Formula: C16H11FN4O2S MolecularWeight: 342.347543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)C2=NNC(=S)N2N=CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)F)C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H11FN4O2S/c17-13-3-1-2-12(8-13)14-19-20-16(24)21(14)18-9-10-4-6-11(7-5-10)15(22)23/h1-9H,(H,20,24)(H,22,23)/b18-9+